SCHEMBL8075407

SCHEMBL8075407

CC(C)(C)CCCOC(O[SiH](c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.36
KDM4E B2RXH2 4/20 0.33
RIPK1 Q13546 2/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
KIF11 P52732 2/20 0.31
PTGER4 P35408 1/20 0.31
PTGER2 P43116 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8070765 0.96 PPARA (0.33) PPARAKDM4ERIPK1EDNRBEDNRA
SCHEMBL8071089 0.87 EDNRB (0.33) KDM4ERIPK1EDNRBEDNRAKIF11
SCHEMBL8070835 0.87 EDNRB (0.33) KDM4ERIPK1EDNRBEDNRAKIF11
SCHEMBL706844 0.73 RIPK1 (0.35) PPARARIPK1
SCHEMBL4528482 0.72 RIPK1 (0.37) RIPK1
SCHEMBL2556823 0.71 EDNRB (0.33) PPARAKDM4ERIPK1EDNRBEDNRA
SCHEMBL5079143 0.70 PPARA (0.39) PPARAKDM4EALDH1A1MEN1HTT
SCHEMBL8629910 0.69 MME (0.32) PPARAKDM4EGRNSORT1ALDH1A1
SCHEMBL702654 0.68 RIPK1 (0.34) PPARARIPK1
SCHEMBL9802325 0.68 ATM (0.37) EDNRBEDNRAKIF11ALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080771-A LEINAMYCIN DERIVATIVES ARE USED AS BACTERICIDE AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-06-27 US disclosed
EP-0887351-A1 DC 107 DERIVATIVES (2) KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-12-30 EP disclosed